DMK
Summary
| Name: | 3,3-DIMETHYL ASPARTIC ACID |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,3-dimethyl-L-aspartic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-azanyl-2,2-dimethyl-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(C(O)=O)(C)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | NWZACHOBRMGGPL-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)([C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)([CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)([C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C(C(=O)O)N)C(=O)O |
